2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide

C11H12N2O3 — CID 29084

IUPAC2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
SMILESCC1c2ccccc2OC(=O)N1CC(N)=O
InChIInChI=1S/C11H12N2O3/c1-7-8-4-2-3-5-9(8)16-11(15)13(7)6-10(12)14/h2-5,7H,6H2,1H3,(H2,12,14)
InChIKeyHFHZHLULFFDDOA-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.05
Rot. Bonds2

About 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide

2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide (PubChem CID 29084) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
PubChem CID29084
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
SMILESCC1c2ccccc2OC(=O)N1CC(N)=O
InChIInChI=1S/C11H12N2O3/c1-7-8-4-2-3-5-9(8)16-11(15)13(7)6-10(12)14/h2-5,7H,6H2,1H3,(H2,12,14)
InChIKeyHFHZHLULFFDDOA-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Caroxazone
CID 29083
3,4-dihydro-2H-1,3-benzoxazin-2-one
CID 121020
2-(S)-Amino-4-(2-methoxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11150893
N-(2-cyclohex-1-en-1-ylethyl)-2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16190251
N-cycloheptyl-2-[1-(2-methoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24791664
(2S)-N-(2-methoxybenzyl)-2-(methylamino)-N-(3-methylbenzyl)propanamide
CID 50957116
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 118721373
2-[1-(2-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4827424
2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid
CID 29085
Ammonium, diethylmethyl(9-xanthenylcarbamoylmethyl)-, bromide
CID 59499
Ethyl (2-oxo-2H-1,3-benzoxazin-3(4H)-yl)acetate
CID 209627
Piperidinium, 1-methyl-1-(9-xanthenylcarbamoylmethyl)-, bromide
CID 24842939

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide (CID 29084) is 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide is CC1c2ccccc2OC(=O)N1CC(N)=O.
What is the InChIKey of 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide?
The InChIKey is HFHZHLULFFDDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-8-4-2-3-5-9(8)16-11(15)13(7)6-10(12)14/h2-5,7H,6H2,1H3,(H2,12,14).
What are the key properties of 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide?
2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide has a molecular weight of 220.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-4H-1,3-benzoxazin-3-yl)acetamide is sourced from PubChem (CID 29084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).